U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H52O4
Molecular Weight 596.8385
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of ASTAXANTHIN

SMILES

CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C

InChI

InChIKey=MQZIGYBFDRPAKN-UWFIBFSHSA-N
InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H52O4
Molecular Weight 596.8385
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 9
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:37:01 UTC 2023
Edited
by admin
on Fri Dec 15 17:37:01 UTC 2023
Record UNII
8XPW32PR7I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTAXANTHIN
HSDB   INCI   MART.   MI   VANDF   WHO-DD  
INCI  
Official Name English
ASTAXANTHIN [HSDB]
Common Name English
ASTAXANTHIN [INCI]
Common Name English
BIOASTIN
Brand Name English
.BETA.,.BETA.-CAROTENE-4,4'-DIONE, 3,3'-DIHYDROXY-, (3S,3'S)-
Common Name English
3,3'-DIHYDROXY-4,4'-DIKETO-.BETA.-CAROTENE
Common Name English
Astaxanthin [WHO-DD]
Common Name English
ASTAXANTHIN (CONSTITUENT OF ASTAXANTHIN ESTERS) [DSC]
Common Name English
ASTAXANTHIN [MART.]
Common Name English
ALL-TRANS-ASTAXANTHIN
Common Name English
ASTAREAL
Brand Name English
(3S,3'S)-3,3'-DIHYDROXY-.BETA.,.BETA.-CAROTENE-4,4'-DIONE
Common Name English
ASTAXANTHIN [VANDF]
Common Name English
ASTAXANTHIN [USP-RS]
Common Name English
ASTAXANTHIN [MI]
Common Name English
OVOESTER
Common Name English
NSC-635689
Code English
Classification Tree Code System Code
NCI_THESAURUS C68309
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
NCI_THESAURUS C210
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
DSLD 12 (Number of products:746)
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
207-451-4
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
DRUG BANK
DB06543
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
EVMPD
SUB21932
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID00893777
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
SMS_ID
100000091870
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
CAS
472-61-7
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
NCI_THESAURUS
C63653
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
MERCK INDEX
m2115
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY Merck Index
MESH
C005948
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
HSDB
7468
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
CHEBI
40968
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
DAILYMED
8XPW32PR7I
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
NSC
635689
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
RXCUI
18451
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY RxNorm
RS_ITEM_NUM
1044200
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
PUBCHEM
5281224
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
FDA UNII
8XPW32PR7I
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
WIKIPEDIA
ASTAXANTHIN
Created by admin on Fri Dec 15 17:37:01 UTC 2023 , Edited by admin on Fri Dec 15 17:37:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
Unit: ng/g; The content of carotenoids from selected commercially available health supplements (Spirulina)
ASSAY (HPLC)
Batch Data
Related Record Type Details
ACTIVE MOIETY